Hi! I'm Aniruddha! 

I am currently a graduate student in the Chemistry & Data Science PhD program at the University of Chicago, where I am advised by Andrew Ferguson and Laura Gagliardi. I do research on theoretical and computational chemistry. Before graduate school, I earned my BS-MS in Chemistry and Physics (Minor) from the National Institute of Science Education and Research (NISER), India. In 2025, I worked with the FAIR Chemistry team at Meta.

My current research interests are the development and application of molecular simulation methods rooted in statistical mechanics, machine learning, and quantum mechanics. You can see all of my research projects, past and present here.

My CV can be found here.

Update! Check out my latest articles:

• Quantum-accurate Atomistic Modeling of Enzyme Catalysis using a Machine Learned Potential arXiv Preprint

• Ultrafast Excited-State Proton Transfer Dynamics Using Linearized Pair-Density Functional Theory Chemical Science